methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate

C12H22N2O2 — CID 61441517

IUPACmethyl 4-(4-cyclopropylpiperazin-1-yl)butanoate
SMILESCOC(=O)CCCN1CCN(C2CC2)CC1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)3-2-6-13-7-9-14(10-8-13)11-4-5-11/h11H,2-10H2,1H3
InChIKeyIYZDFUHEFCADFD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.72
Rot. Bonds5

About methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate

methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate (PubChem CID 61441517) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-cyclopropylpiperazin-1-yl)butanoate
PubChem CID61441517
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl 4-(4-cyclopropylpiperazin-1-yl)butanoate
SMILESCOC(=O)CCCN1CCN(C2CC2)CC1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)3-2-6-13-7-9-14(10-8-13)11-4-5-11/h11H,2-10H2,1H3
InChIKeyIYZDFUHEFCADFD-UHFFFAOYSA-N
XLogP0.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate
CID 60745212
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
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methyl 4-(4-aminopiperidin-1-yl)butanoate
CID 43556647
methyl 4-(azocan-1-yl)butanoate
CID 43377737
methyl 4-(3-piperazin-1-ylpyrrolidin-1-yl)butanoate
CID 112739454
methyl 4-(3-methoxypyrrolidin-1-yl)butanoate
CID 103535204
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
methyl 4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]butanoate
CID 152602216
methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate
CID 78918620
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate
CID 113252132
methyl 6-(4-ethynylpiperidin-1-yl)hexanoate
CID 168946344

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate?
The IUPAC name of methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate (CID 61441517) is methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate.
What is the SMILES notation for methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate?
The canonical SMILES for methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate is COC(=O)CCCN1CCN(C2CC2)CC1.
What is the InChIKey of methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate?
The InChIKey is IYZDFUHEFCADFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-12(15)3-2-6-13-7-9-14(10-8-13)11-4-5-11/h11H,2-10H2,1H3.
What are the key properties of methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate?
methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate has a molecular weight of 226.32 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate is sourced from PubChem (CID 61441517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).